2-(2,6-dioxomorpholin-4-yl)ethyl 2-(2,6-dioxomorpholin-4-yl)acetate

C12H14N2O8 — CID 20676350

IUPAC2-(2,6-dioxomorpholin-4-yl)ethyl 2-(2,6-dioxomorpholin-4-yl)acetate
SMILESO=C(CN1CC(=O)OC(=O)C1)OCCN1CC(=O)OC(=O)C1
InChIInChI=1S/C12H14N2O8/c15-8(3-14-6-11(18)22-12(19)7-14)20-2-1-13-4-9(16)21-10(17)5-13/h1-7H2
InChIKeyZXMISXDOKPQGNR-UHFFFAOYSA-N
MW314.25 g/mol
LogP-2.70
Rot. Bonds5

About 2-(2,6-dioxomorpholin-4-yl)ethyl 2-(2,6-dioxomorpholin-4-yl)acetate

2-(2,6-dioxomorpholin-4-yl)ethyl 2-(2,6-dioxomorpholin-4-yl)acetate (PubChem CID 20676350) has the molecular formula C12H14N2O8 and a molecular weight of 314.25 g/mol. Its IUPAC name is 2-(2,6-dioxomorpholin-4-yl)ethyl 2-(2,6-dioxomorpholin-4-yl)acetate.

Molecular Properties

Compound Name2-(2,6-dioxomorpholin-4-yl)ethyl 2-(2,6-dioxomorpholin-4-yl)acetate
PubChem CID20676350
Molecular FormulaC12H14N2O8
Molecular Weight314.25 g/mol
Exact Mass314.08
IUPAC Name2-(2,6-dioxomorpholin-4-yl)ethyl 2-(2,6-dioxomorpholin-4-yl)acetate
SMILESO=C(CN1CC(=O)OC(=O)C1)OCCN1CC(=O)OC(=O)C1
InChIInChI=1S/C12H14N2O8/c15-8(3-14-6-11(18)22-12(19)7-14)20-2-1-13-4-9(16)21-10(17)5-13/h1-7H2
InChIKeyZXMISXDOKPQGNR-UHFFFAOYSA-N
XLogP-2.70
TPSA119.52 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 5-2.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxomorpholin-4-yl)ethyl 2-(2,6-dioxomorpholin-4-yl)acetate?
The IUPAC name of 2-(2,6-dioxomorpholin-4-yl)ethyl 2-(2,6-dioxomorpholin-4-yl)acetate (CID 20676350) is 2-(2,6-dioxomorpholin-4-yl)ethyl 2-(2,6-dioxomorpholin-4-yl)acetate.
What is the SMILES notation for 2-(2,6-dioxomorpholin-4-yl)ethyl 2-(2,6-dioxomorpholin-4-yl)acetate?
The canonical SMILES for 2-(2,6-dioxomorpholin-4-yl)ethyl 2-(2,6-dioxomorpholin-4-yl)acetate is O=C(CN1CC(=O)OC(=O)C1)OCCN1CC(=O)OC(=O)C1.
What is the InChIKey of 2-(2,6-dioxomorpholin-4-yl)ethyl 2-(2,6-dioxomorpholin-4-yl)acetate?
The InChIKey is ZXMISXDOKPQGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O8/c15-8(3-14-6-11(18)22-12(19)7-14)20-2-1-13-4-9(16)21-10(17)5-13/h1-7H2.
What are the key properties of 2-(2,6-dioxomorpholin-4-yl)ethyl 2-(2,6-dioxomorpholin-4-yl)acetate?
2-(2,6-dioxomorpholin-4-yl)ethyl 2-(2,6-dioxomorpholin-4-yl)acetate has a molecular weight of 314.25 g/mol, XLogP of -2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxomorpholin-4-yl)ethyl 2-(2,6-dioxomorpholin-4-yl)acetate is sourced from PubChem (CID 20676350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).